477766-89-5
Product Name:
3,9A-DIMETHYL-4-(4-NITROPHENYL)-3A,4,9,9A-TETRAHYDRO-1H-PYRAZOLO[3,4-D][1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
Formula:
C14H15N7O2
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 313.31 g/mol |
---|---|
XLogP3 | 1.8 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 1 |
Exact Mass | 313.12872275 g/mol |
Monoisotopic Mass | 313.12872275 g/mol |
Topological Polar Surface Area | 113 Ų |
Heavy Atom Count | 23 |
Formal Charge | 0 |
Complexity | 528 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 3 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |